org.jmol.smiles
Class SmilesMolecule

java.lang.Object
  extended by org.jmol.smiles.SmilesMolecule

public class SmilesMolecule
extends java.lang.Object

Molecule created from a SMILES String


Field Summary
private  SmilesAtom[] atoms
           
private  int atomsCount
           
private  SmilesBond[] bonds
           
private  int bondsCount
           
private static int INITIAL_ATOMS
           
private static int INITIAL_BONDS
           
 
Constructor Summary
SmilesMolecule()
          SmilesMolecule constructor
 
Method Summary
 SmilesAtom createAtom()
           
 SmilesBond createBond(SmilesAtom atom1, SmilesAtom atom2, int bondType)
           
 SmilesAtom getAtom(int number)
           
 int getAtomsCount()
           
 SmilesBond getBond(int number)
           
 int getBondsCount()
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

atoms

private SmilesAtom[] atoms

atomsCount

private int atomsCount

bonds

private SmilesBond[] bonds

bondsCount

private int bondsCount

INITIAL_ATOMS

private static final int INITIAL_ATOMS
See Also:
Constant Field Values

INITIAL_BONDS

private static final int INITIAL_BONDS
See Also:
Constant Field Values
Constructor Detail

SmilesMolecule

public SmilesMolecule()
SmilesMolecule constructor

Method Detail

createAtom

public SmilesAtom createAtom()

getAtomsCount

public int getAtomsCount()

getAtom

public SmilesAtom getAtom(int number)

createBond

public SmilesBond createBond(SmilesAtom atom1,
                             SmilesAtom atom2,
                             int bondType)

getBondsCount

public int getBondsCount()

getBond

public SmilesBond getBond(int number)